smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(N2CC[NH+](CC[C@@H]3OCCc4ccccc43)CC2)cc1	ZINC000004618051	204150816	/nfs/dbraw/zinc/15/08/16/204150816.db2.gz	IAUNACXRZSWWJT-QFIPXVFZSA-N	1	0	352.478	3.521	1	10		FHCFRO
COC(=O)[C@H]1C[C@@H]2c3cccc4c3c(cn4Cc3ccccc3)C[C@@H]2[N@H+](C)C1	ZINC000169313077	206250337	/nfs/dbraw/zinc/25/03/37/206250337.db2.gz	QFUOKYZEWZZDLW-DWLFOUALSA-N	1	0	374.484	3.823	1	10		FHCFRO
CC[N@@H+]1CCc2c3ccc4cc(O)c(OC)cc4c3c(OC)c(O)c2C1	ZINC000040392083	205068262	/nfs/dbraw/zinc/06/82/62/205068262.db2.gz	ORSKJVFENCQMOI-UHFFFAOYSA-N	1	0	353.418	3.799	1	10		FHCFRO
CCN(c1ccc(O)c(C[NH+]2CCCCC2)c1)c1ccc([N+](=O)[O-])cn1	ZINC000045302954	205120365	/nfs/dbraw/zinc/12/03/65/205120365.db2.gz	AQQCRFKSMKQZII-UHFFFAOYSA-N	1	0	356.426	3.839	1	10		FHCFRO
CN(C)C(=O)c1ccc(Nc2c3ccc(N)cc3[nH+]c3cc(N)ccc32)cc1	ZINC000029308636	204897959	/nfs/dbraw/zinc/89/79/59/204897959.db2.gz	IXQKRVFWAVISDZ-UHFFFAOYSA-N	1	0	371.444	3.998	1	10		FHCFRO
CCN(CC)/[N+](O)=N/OCOC(=O)[C@@H](C)c1ccc(CC(C)C)cc1	ZINC000038141989	205038996	/nfs/dbraw/zinc/03/89/96/205038996.db2.gz	QGNVDNLWZCDGHO-AYAKEVCGSA-N	1	0	351.447	3.640	1	10		FHCFRO
C/C=C/c1cc(C[NH+]2CCN(c3ccc(OC)cc3)CC2)c(O)c(OC)c1	ZINC000059866778	136132284	/nfs/dbraw/zinc/13/22/84/136132284.db2.gz	OJYCKEOAZWNIGW-SNAWJCMRSA-N	1	0	368.477	3.765	3	10		FHCFRO
O=C(c1ccccc1)c1ccc(C[C@H]2[NH2+]CCc3cc(O)c(O)cc32)cc1	ZINC000040567184	205072060	/nfs/dbraw/zinc/07/20/60/205072060.db2.gz	OLFRQCNEORKXAT-HXUWFJFHSA-N	1	0	359.425	3.758	1	10		FHCFRO
CCN(CC)/[N+](O)=N/OCOC(=O)[C@H](C)c1ccc(CC(C)C)cc1	ZINC000036380530	208158943	/nfs/dbraw/zinc/15/89/43/208158943.db2.gz	QGNVDNLWZCDGHO-DSGGYQJVSA-N	1	0	351.447	3.640	1	10		FHCFRO
O=C(N[C@H]1CC[N@@H+](Cc2ccccc2O)C1)c1ccc(Cl)c(Cl)c1	ZINC000045195079	208327162	/nfs/dbraw/zinc/32/71/62/208327162.db2.gz	QMYPPRYWDAKFSH-AWEZNQCLSA-N	1	0	365.260	3.703	1	10		FHCFRO
COc1ccc(N2CC[NH+](CC[C@H]3OCCc4ccccc43)CC2)cc1	ZINC000003812551	536699189	/nfs/dbraw/zinc/69/91/89/536699189.db2.gz	IAUNACXRZSWWJT-JOCHJYFZSA-N	1	0	352.478	3.521	1	10		FHCFRO
COc1cccc2c1[C@@H](C)C[C@@H](O)[C@H]2c1ccc2c(c1O)[C@@H](C)[NH2+][C@H](C)C2	ZINC000095486319	291078331	/nfs/dbraw/zinc/07/83/31/291078331.db2.gz	CJSBULIESOFFFZ-ZBEYHTLISA-N	1	0	367.489	3.996	1	10	biogenic,in-vitro	FHCFRO
[NH3+]C[C@@H]1O[C@H](C(c2ccccc2)c2ccccc2)Cc2c(O)c(O)ccc21	ZINC000013823815	207487077	/nfs/dbraw/zinc/48/70/77/207487077.db2.gz	ILWGLMLPVXFDGW-SFTDATJTSA-N	1	0	361.441	3.871	1	10		FHCFRO
O=C(c1ccccc1)c1ccc(C[C@@H]2[NH2+]CCc3cc(O)c(O)cc32)cc1	ZINC000040567185	208256422	/nfs/dbraw/zinc/25/64/22/208256422.db2.gz	OLFRQCNEORKXAT-FQEVSTJZSA-N	1	0	359.425	3.758	1	10		FHCFRO
Cn1cc2c3c1cccc3[C@H]1C[C@@H](CNC(=O)c3ccccc3)C[N@H+](C)[C@@H]1C2	ZINC000103297509	209252688	/nfs/dbraw/zinc/25/26/88/209252688.db2.gz	OFXSILNGLBNZGN-SAWYMBPVSA-N	1	0	373.500	3.568	1	10		FHCFRO
COc1ccc2[nH+]c3cc(I)ccc3c(N)c2c1	ZINC000095584327	209081623	/nfs/dbraw/zinc/08/16/23/209081623.db2.gz	FKAJODAXWWSUFB-UHFFFAOYSA-N	1	0	350.159	3.583	1	10		FHCFRO
O=C(N[C@@H]1CCCC[N@@H+](Cc2ccccc2O)C1)c1cccc(Cl)c1	ZINC000045211011	208326998	/nfs/dbraw/zinc/32/69/98/208326998.db2.gz	HJMDXWUXGMCUCS-GOSISDBHSA-N	1	0	358.869	3.830	1	10		FHCFRO
O=C(c1ccccc1)c1cc(C[NH+]2CCCC2)c([O-])c(C[NH+]2CCCC2)c1	ZINC000026746202	211453710	/nfs/dbraw/zinc/45/37/10/211453710.db2.gz	PKLSKWMMKKIEQA-UHFFFAOYSA-N	1	0	364.489	3.815	1	10		FHCFRO
CCC[N@@H+]1CCc2cc(OCCF)cc3c2[C@H]1Cc1ccc(O)c(O)c1-3	ZINC000066075719	221239316	/nfs/dbraw/zinc/23/93/16/221239316.db2.gz	BVBIAGFWBHXIBM-QGZVFWFLSA-N	1	0	357.425	3.978	1	10		FHCFRO
COc1ccc2[nH+]c3ccccc3c(NCCC[N+](C)(C)[O-])c2c1[N+](=O)[O-]	ZINC000026568572	717114135	/nfs/dbraw/zinc/11/41/35/717114135.db2.gz	SPWBUPLVHPUUBF-UHFFFAOYSA-N	1	0	370.409	3.681	1	10		FHCFRO
C[C@H]1C[N@H+](Cc2ccc(N(C)C)cc2)CC[C@@]1(C)c1cccc(C(N)=O)c1	ZINC000013587986	211040664	/nfs/dbraw/zinc/04/06/64/211040664.db2.gz	TXUBXEVHUHDDRV-GAJHUEQPSA-N	1	0	365.521	3.651	1	10		FHCFRO
C[N@@H+]1CCCC[C@H]1c1c([O-])cc2c(c1O)C(=O)C[C@@H](c1ccc(O)cc1)O2	ZINC000069482082	291076480	/nfs/dbraw/zinc/07/64/80/291076480.db2.gz	NYHSNZHJNMYKDB-YOEHRIQHSA-N	1	0	369.417	3.667	1	10	biogenic,in-vitro	FHCFRO
CC[N@@H+]1CCc2cc(OCCCF)cc3c2[C@H]1Cc1ccc(O)c(O)c1-3	ZINC000066074306	221239429	/nfs/dbraw/zinc/23/94/29/221239429.db2.gz	WFXYNLKNMYICFR-QGZVFWFLSA-N	1	0	357.425	3.978	1	10		FHCFRO
Cc1cccc2nc3c4ccccc4cc(C(=O)NCC[NH+](C)C)c3nc12	ZINC000013586922	220077273	/nfs/dbraw/zinc/07/72/73/220077273.db2.gz	ANVIERUTMMGRKK-UHFFFAOYSA-N	1	0	358.445	3.536	1	10		FHCFRO
CC(C)[n+]1c(C=Cc2ccccc2)n(C)c2c1C(=O)c1ccccc1C2=O	ZINC000017353741	220215716	/nfs/dbraw/zinc/21/57/16/220215716.db2.gz	ORCFQPUUSLLWHC-BUHFOSPRSA-N	1	0	357.433	3.839	1	10		FHCFRO
C[N+](C)(Cc1cc(O)c2c(c1)C(=O)c1cccc(O)c1C2=O)c1ccccc1	ZINC000095587156	717139288	/nfs/dbraw/zinc/13/92/88/717139288.db2.gz	OAADLWXSWBRILF-UHFFFAOYSA-O	1	0	374.416	3.640	1	10		FHCFRO